N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine

C11H16BrNO — CID 107094355

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNC(C)c1ccc(Br)o1
InChIInChI=1S/C11H16BrNO/c1-8(2)6-7-13-9(3)10-4-5-11(12)14-10/h4-6,9,13H,7H2,1-3H3
InChIKeyDTGRXRMAWZEJGA-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.66
Rot. Bonds4

About N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine

N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine (PubChem CID 107094355) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
PubChem CID107094355
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNC(C)c1ccc(Br)o1
InChIInChI=1S/C11H16BrNO/c1-8(2)6-7-13-9(3)10-4-5-11(12)14-10/h4-6,9,13H,7H2,1-3H3
InChIKeyDTGRXRMAWZEJGA-UHFFFAOYSA-N
XLogP3.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(5-Methyl-2-furanyl)pyrrolidine
CID 4715419
5-bromo-N-cycloheptylfuran-2-carboxamide
CID 673585
N-[(5-methyl-2-furyl)methyl]ethanamine
CID 4777647
5-Bromo-N-cyclohexyl-2-furamide
CID 600329
5-bromo-N-(2-(cyclohex-1-en-1-yl)ethyl)furan-2-carboxamide
CID 729887
2-(5-Methylfuran-2-yl)piperidine
CID 17389585
Methyl[(5-methylfuran-2-yl)methyl]amine
CID 2416532
[1-(Furan-2-yl)ethyl](methyl)amine
CID 3161863
(Furan-2-ylmethyl)(hexyl)amine
CID 4722616
((Furan-2-yl)methyl)(propan-2-yl)amine
CID 12572948
5-bromo-N-hexylfuran-2-carboxamide
CID 2072740
Benzyl-[1-(5-methyl-furan-2-YL)-but-3-enyl]-amine hydrochloride
CID 9549356

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine (CID 107094355) is N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine is CC(C)=CCNC(C)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine?
The InChIKey is DTGRXRMAWZEJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8(2)6-7-13-9(3)10-4-5-11(12)14-10/h4-6,9,13H,7H2,1-3H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine?
N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine has a molecular weight of 258.16 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine is sourced from PubChem (CID 107094355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).